N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxoimidazolidin-4-yl]phenyl]piperazin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C37H43F2N11O4 — CID 176591875

About N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxoimidazolidin-4-yl]phenyl]piperazin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxoimidazolidin-4-yl]phenyl]piperazin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 176591875) has the molecular formula C37H43F2N11O4 and a molecular weight of 743.82 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxoimidazolidin-4-yl]phenyl]piperazin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxoimidazolidin-4-yl]phenyl]piperazin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 176591875
• Molecular Formula: C37H43F2N11O4
• Molecular Weight: 743.82 g/mol
• Exact Mass: 743.35
• IUPAC Name: N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxoimidazolidin-4-yl]phenyl]piperazin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN1C(=O)N(C2CCC(=O)NC2=O)CC1c1cccc(N2CCN(CC3CCC(n4cc(NC(=O)c5cnn6cccnc56)c(C(F)F)n4)CC3)CC2)c1
• InChI: InChI=1S/C37H43F2N11O4/c1-45-30(22-48(37(45)54)29-10-11-31(51)43-36(29)53)24-4-2-5-26(18-24)47-16-14-46(15-17-47)20-23-6-8-25(9-7-23)50-21-28(32(44-50)33(38)39)42-35(52)27-19-41-49-13-3-12-40-34(27)49/h2-5,12-13,18-19,21,23,25,29-30,33H,6-11,14-17,20,22H2,1H3,(H,42,52)(H,43,51,53)
• InChIKey: UEPWZHWYRUNVPF-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 153.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.82
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxoimidazolidin-4-yl]phenyl]piperazin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxoimidazolidin-4-yl]phenyl]piperazin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 176591875) is N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxoimidazolidin-4-yl]phenyl]piperazin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxoimidazolidin-4-yl]phenyl]piperazin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxoimidazolidin-4-yl]phenyl]piperazin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1C(=O)N(C2CCC(=O)NC2=O)CC1c1cccc(N2CCN(CC3CCC(n4cc(NC(=O)c5cnn6cccnc56)c(C(F)F)n4)CC3)CC2)c1.

What is the InChIKey of N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxoimidazolidin-4-yl]phenyl]piperazin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is UEPWZHWYRUNVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43F2N11O4/c1-45-30(22-48(37(45)54)29-10-11-31(51)43-36(29)53)24-4-2-5-26(18-24)47-16-14-46(15-17-47)20-23-6-8-25(9-7-23)50-21-28(32(44-50)33(38)39)42-35(52)27-19-41-49-13-3-12-40-34(27)49/h2-5,12-13,18-19,21,23,25,29-30,33H,6-11,14-17,20,22H2,1H3,(H,42,52)(H,43,51,53).

What are the key properties of N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxoimidazolidin-4-yl]phenyl]piperazin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxoimidazolidin-4-yl]phenyl]piperazin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 743.82 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxoimidazolidin-4-yl]phenyl]piperazin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 176591875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).